3-(2-nitroimidazol-1-yl)-1-[2-(2-oxidanylidenebutylamino)oxyethylamino]butan-2-one

Systemtic Name: 3-(2-nitroimidazol-1-yl)-1-[2-(2-oxidanylidenebutylamino)oxyethylamino]butan-2-one Openeye Name: 3-(2-nitroimidazol-1-yl)-1-[2-(2-oxobutylamino)oxyethylamino]butan-2-one CAS Name: 3-(2-nitro-1-imidazolyl)-1-[2-(2-oxobutylamino)oxyethylamino]-2-butanone IUPAC Name: 3-(2-nitroimidazol-1-yl)-1-[2-(2-oxobutylamino)oxyethylamino]butan-2-one Traditional Name: 1-[2-(2-ketobutylamino)oxyethylamino]-3-(2-nitroimidazol-1-yl)butan-2-one Formula: C13H21N5O5 MolecularWeight: 327.33634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CNOCCNCC(=O)C(C)N1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

CCC(=O)CNOCCNCC(=O)C(C)N1C=CN=C1[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O5/c1-3-11(19)8-16-23-7-5-14-9-12(20)10(2)17-6-4-15-13(17)18(21)22/h4,6,10,14,16H,3,5,7-9H2,1-2H3